#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xne s LYS 2 N 0.00 3.68 -0.19 2.12 1.02 -1.26 -4.74 119.74 120.37 1xne s LYS 2 Ca 0.00 0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.17 1xne s LYS 2 Cb 0.00 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1xne s LYS 2 CO 0.00 0.06 -0.06 0.08 -0.92 0.00 0.00 175.35 174.52 1xne s VAL 3 N -2.28 3.44 -0.28 3.17 1.01 -1.25 0.13 120.40 124.34 1xne s VAL 3 Ca 0.47 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1xne s VAL 3 Cb -0.10 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1xne s VAL 3 CO 0.32 0.45 0.01 -0.31 0.00 0.00 0.00 175.10 175.57 1xne s TYR 4 N 1.04 3.16 -0.59 5.22 1.51 0.73 -4.95 117.35 123.46 1xne s TYR 4 Ca 0.00 -1.49 -0.21 0.00 -1.01 0.00 0.00 57.07 54.36 1xne s TYR 4 Cb -0.15 -2.14 0.07 0.00 -0.11 0.00 0.00 41.96 39.63 1xne s TYR 4 CO -0.00 -0.71 0.83 1.03 -1.11 0.00 0.00 175.55 175.58 1xne s ARG 5 N 1.36 3.13 -0.16 -0.62 0.52 -1.26 0.19 118.95 122.10 1xne s ARG 5 Ca -0.01 -0.86 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 1xne s ARG 5 Cb -0.18 -4.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.07 1xne s ARG 5 CO -0.01 -1.57 0.06 -0.51 0.02 0.00 0.00 175.30 173.29 1xne s LEU 6 N 3.41 3.82 -0.31 2.53 1.43 0.21 -4.94 118.68 124.83 1xne s LEU 6 Ca 0.19 0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.20 1xne s LEU 6 Cb -0.18 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1xne s LEU 6 CO 0.11 0.22 0.71 -0.31 0.23 0.00 0.00 176.35 177.31 1xne s TYR 7 N 0.08 3.20 0.44 0.29 1.51 -1.26 0.12 117.35 121.72 1xne s TYR 7 Ca 0.05 0.67 0.05 0.00 -1.01 0.00 0.00 57.07 56.84 1xne s TYR 7 Cb -0.12 -3.12 -0.06 0.00 -0.11 0.00 0.00 41.96 38.55 1xne s TYR 7 CO 0.01 -0.54 0.01 -0.51 -1.11 0.00 0.00 175.55 173.41 1xne s LEU 8 N 2.79 2.69 0.21 -1.29 1.02 -1.26 -4.85 118.68 118.00 1xne s LEU 8 Ca 0.29 -1.46 -0.02 0.00 0.02 0.00 0.00 54.13 52.96 1xne s LEU 8 Cb -0.14 -0.84 -0.05 0.00 0.02 0.00 0.00 46.19 45.18 1xne s LEU 8 CO 0.12 -0.57 0.42 -0.54 0.02 0.00 0.00 176.35 175.80 1xne s LYS 9 N -3.76 3.55 0.43 1.70 1.02 -1.26 -4.72 119.74 116.69 1xne s LYS 9 Ca 0.26 -0.25 0.16 0.00 0.02 0.00 0.00 55.97 56.16 1xne s LYS 9 Cb 0.07 -2.81 1.06 0.00 -0.52 0.00 0.00 37.83 35.64 1xne s LYS 9 CO 0.13 0.37 1.92 0.22 -0.92 0.00 0.00 175.35 177.08 1xne h ASP 10 N 2.04 0.38 -0.03 2.83 3.58 -2.01 1.48 116.42 124.69 1xne h ASP 10 Ca -0.48 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 56.99 1xne h ASP 10 Cb 1.19 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 1xne h ASP 10 CO 0.68 0.20 0.02 -0.33 -2.88 0.00 0.00 179.24 176.93 1xne h GLU 11 N 0.41 0.04 0.03 0.28 4.39 -1.99 0.41 114.58 118.15 1xne h GLU 11 Ca 0.37 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.93 1xne h GLU 11 Cb 0.85 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1xne h GLU 11 CO -0.12 0.08 -0.54 1.88 -1.16 0.00 0.00 179.01 179.16 1xne h TYR 12 N -0.01 0.49 -0.98 4.33 0.05 -1.47 -3.24 116.97 116.15 1xne h TYR 12 Ca 0.01 -0.29 0.08 0.00 0.05 0.00 0.00 58.73 58.59 1xne h TYR 12 Cb 0.05 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.67 1xne h TYR 12 CO -0.06 1.13 0.62 1.25 -1.05 0.00 0.00 178.16 180.05 1xne h LEU 13 N -0.28 0.96 -0.49 3.88 5.85 0.20 -1.29 115.31 124.14 1xne h LEU 13 Ca -0.08 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.76 1xne h LEU 13 Cb 1.30 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 1xne h LEU 13 CO 0.11 0.58 0.01 -0.33 -0.34 0.00 0.00 178.44 178.46 1xne h GLU 14 N 1.07 0.12 -0.32 1.25 5.08 -0.21 0.27 114.58 121.84 1xne h GLU 14 Ca 0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1xne h GLU 14 Cb 0.28 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1xne h GLU 14 CO -0.21 0.08 0.20 0.52 -1.00 0.00 0.00 179.01 178.60 1xne h MET 15 N 0.12 0.42 -0.21 2.33 2.86 -1.28 -0.70 114.93 118.48 1xne h MET 15 Ca 0.25 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.68 1xne h MET 15 Cb 0.36 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1xne h MET 15 CO -0.40 0.29 -0.59 0.28 1.06 0.00 0.00 176.91 177.54 1xne h VAL 16 N 0.43 1.31 -0.44 -2.22 2.07 -0.29 -2.61 116.25 114.50 1xne h VAL 16 Ca 0.12 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 1xne h VAL 16 Cb -0.03 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1xne h VAL 16 CO -0.02 0.58 0.18 0.11 0.02 0.00 0.00 177.57 178.44 1xne h LYS 17 N 0.51 0.66 -0.15 1.57 1.79 0.59 -1.82 116.57 119.72 1xne h LYS 17 Ca -0.00 -0.12 0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1xne h LYS 17 Cb 1.17 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1xne h LYS 17 CO 0.12 0.60 0.10 0.66 -1.08 0.00 0.00 179.45 179.85 1xne h SER 18 N 0.57 0.08 0.00 0.86 4.64 -1.10 -3.46 113.55 115.14 1xne h SER 18 Ca 0.15 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1xne h SER 18 Cb 0.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1xne h SER 18 CO -0.01 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1xne n GLY 19 N -1.54 0.23 0.36 -0.77 0.00 -0.68 -4.94 105.19 97.85 1xne n GLY 19 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1xne n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xne h LYS 20 N 3.51 0.97 -6.20 1.61 1.57 -1.71 -3.39 116.57 112.93 1xne h LYS 20 Ca 0.00 -0.06 -0.56 0.00 -1.87 0.00 0.00 60.65 58.16 1xne h LYS 20 Cb 0.00 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1xne h LYS 20 CO 0.00 0.64 0.86 0.21 -0.57 0.00 0.00 179.45 180.59 1xne s LYS 21 N -5.86 4.26 0.00 3.15 2.47 -1.03 -4.67 119.74 118.05 1xne s LYS 21 Ca -0.11 1.70 0.00 0.00 -1.56 0.00 0.00 55.97 55.99 1xne s LYS 21 Cb 0.19 -3.72 0.00 0.00 -1.46 0.00 0.00 37.83 32.84 1xne s LYS 21 CO 0.79 -0.65 0.00 -2.13 0.16 0.00 0.00 175.35 173.52 1xne n ARG 22 N 6.26 0.00 -3.77 4.03 3.00 -1.26 -4.83 116.66 120.09 1xne n ARG 22 Ca 0.13 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.62 1xne n ARG 22 Cb 0.45 -0.39 -0.13 0.00 0.00 0.00 0.00 32.46 32.39 1xne n ARG 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1xne s ILE 23 N -1.72 4.01 -0.39 5.15 1.01 -1.26 -1.49 121.20 126.52 1xne s ILE 23 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1xne s ILE 23 Cb 0.00 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1xne s ILE 23 CO 0.00 0.20 0.27 -0.70 0.00 0.00 0.00 174.94 174.71 1xne s GLU 24 N 1.54 3.04 -0.23 2.79 2.56 0.94 -3.99 118.70 125.35 1xne s GLU 24 Ca 0.04 -0.96 -0.11 0.00 0.00 0.00 0.00 54.97 53.94 1xne s GLU 24 Cb -0.16 -3.89 -0.05 0.00 2.00 0.00 0.00 34.13 32.03 1xne s GLU 24 CO 0.02 -0.68 0.19 0.08 -0.56 0.00 0.00 175.26 174.31 1xne s VAL 25 N 1.66 5.35 -0.03 3.70 1.01 -1.26 -2.53 120.40 128.30 1xne s VAL 25 Ca 0.05 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1xne s VAL 25 Cb -0.19 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1xne s VAL 25 CO 0.09 0.35 0.84 -0.60 0.00 0.00 0.00 175.10 175.78 1xne s ARG 26 N 0.98 0.86 -0.35 2.72 3.00 -1.22 -5.04 118.95 119.91 1xne s ARG 26 Ca 0.09 -0.13 -0.41 0.00 -1.00 0.00 0.00 55.73 54.28 1xne s ARG 26 Cb -0.13 0.40 -0.16 0.00 0.00 0.00 0.00 34.95 35.05 1xne s ARG 26 CO 0.04 -0.34 1.79 0.28 0.00 0.00 0.00 175.30 177.07 1xne n VAL 27 N 0.15 0.22 -0.00 7.11 0.31 -1.26 -3.98 118.33 120.88 1xne n VAL 27 Ca -0.12 -0.06 -0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1xne n VAL 27 Cb 0.61 -1.07 -0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1xne n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xne h ALA 28 N 7.36 -0.09 -3.92 3.52 0.00 -1.82 -3.47 119.26 120.84 1xne h ALA 28 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xne h ALA 28 Cb 1.34 0.92 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1xne h ALA 28 CO 0.98 -0.09 -0.97 0.98 0.00 0.00 0.00 179.25 180.15 1xne n TYR 29 N -2.94 -4.63 -2.32 0.00 4.19 -1.26 -3.28 117.16 106.92 1xne n TYR 29 Ca 0.00 2.47 -0.35 0.00 3.31 0.00 0.00 57.90 63.33 1xne n TYR 29 Cb 0.00 -3.69 -0.03 0.00 0.49 0.00 0.00 39.34 36.11 1xne n TYR 29 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1xne s PRO 30 N -3.97 3.21 0.03 2.98 0.04 -1.26 -2.61 135.00 133.42 1xne s PRO 30 Ca 0.00 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.69 1xne s PRO 30 Cb 0.00 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1xne s PRO 30 CO 0.00 -3.02 0.00 0.94 0.04 0.00 0.00 177.00 174.96 1xne n GLN 31 N 8.49 0.00 -0.03 4.56 -0.06 -1.26 -4.95 117.38 124.13 1xne n GLN 31 Ca 0.44 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.44 1xne n GLN 31 Cb 0.47 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.57 1xne n GLN 31 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1xne n LEU 32 N -2.36 0.00 0.32 1.69 4.77 -1.23 -4.41 117.00 115.78 1xne n LEU 32 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1xne n LEU 32 Cb 0.00 0.12 0.92 0.00 -2.33 0.00 0.00 43.42 42.13 1xne n LEU 32 CO 0.00 0.12 1.15 0.07 -1.33 0.00 0.00 177.39 177.39 1xne h LYS 33 N 0.00 0.00 0.00 3.23 5.09 -1.49 1.17 116.57 124.58 1xne h LYS 33 Ca -0.13 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.54 1xne h LYS 33 Cb 1.02 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.34 1xne h LYS 33 CO 0.01 0.00 -0.32 0.22 -2.09 0.00 0.00 179.45 177.27 1xne h ASP 34 N 0.00 0.00 -2.40 7.07 3.58 -1.82 -3.46 116.42 119.39 1xne h ASP 34 Ca 0.01 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.91 1xne h ASP 34 Cb 0.50 0.00 0.22 0.00 1.72 0.00 0.00 39.33 41.77 1xne h ASP 34 CO -0.00 0.32 -1.40 0.00 -2.88 0.00 0.00 179.24 175.28 1xne n ILE 35 N -3.35 0.13 -3.53 2.25 3.06 0.40 -5.00 119.36 113.32 1xne n ILE 35 Ca 0.01 -0.42 -0.10 0.00 -2.50 0.00 0.00 62.75 59.74 1xne n ILE 35 Cb 0.54 -0.19 -0.02 0.00 0.54 0.00 0.00 39.64 40.51 1xne n ILE 35 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1xne s LYS 36 N -2.32 1.26 0.39 9.51 -2.85 -1.26 -4.94 119.74 119.53 1xne s LYS 36 Ca 0.47 -0.53 -0.25 0.00 -1.00 0.00 0.00 55.97 54.66 1xne s LYS 36 Cb -0.23 0.54 -0.11 0.00 -2.06 0.00 0.00 37.83 35.96 1xne s LYS 36 CO 0.76 -0.56 1.03 -2.13 0.10 0.00 0.00 175.35 174.55 1xne n ARG 37 N -0.37 1.42 0.00 1.78 0.00 -1.26 -1.80 116.66 116.43 1xne n ARG 37 Ca -0.13 0.51 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 1xne n ARG 37 Cb 0.63 -2.02 0.00 0.00 0.00 0.00 0.00 32.46 31.07 1xne n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xne n GLY 38 N 1.16 3.44 3.74 5.14 0.00 -0.99 -4.99 105.19 112.69 1xne n GLY 38 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1xne n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xne s ASP 39 N -1.00 1.85 0.02 1.61 1.11 -0.74 -4.38 116.67 115.14 1xne s ASP 39 Ca 0.00 0.46 0.03 0.00 0.18 0.00 0.00 52.55 53.22 1xne s ASP 39 Cb 0.00 -0.60 -0.02 0.00 1.07 0.00 0.00 42.92 43.37 1xne s ASP 39 CO 0.00 -3.53 -0.11 -0.75 1.18 0.00 0.00 175.17 171.96 1xne s LYS 40 N -5.63 0.74 0.01 8.23 2.20 0.36 -1.63 119.74 124.02 1xne s LYS 40 Ca 0.72 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.81 1xne s LYS 40 Cb -0.07 -0.69 -0.02 0.00 -1.51 0.00 0.00 37.83 35.54 1xne s LYS 40 CO 0.55 0.17 -0.19 0.42 -0.36 0.00 0.00 175.35 175.94 1xne s ILE 41 N -0.73 1.48 -0.26 5.43 1.01 0.41 -0.20 121.20 128.35 1xne s ILE 41 Ca -0.00 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1xne s ILE 41 Cb -0.07 -1.26 0.06 0.00 0.01 0.00 0.00 42.46 41.20 1xne s ILE 41 CO 0.01 0.30 -0.10 -0.63 0.00 0.00 0.00 174.94 174.52 1xne s ILE 42 N -0.60 2.06 -0.19 2.92 -1.09 0.49 0.18 121.20 124.98 1xne s ILE 42 Ca 0.07 -1.58 -0.23 0.00 -2.23 0.00 0.00 60.65 56.67 1xne s ILE 42 Cb -0.08 -2.21 -0.02 0.00 -1.58 0.00 0.00 42.46 38.58 1xne s ILE 42 CO 0.00 -0.05 0.75 -0.36 -1.23 0.00 0.00 174.94 174.06 1xne s PHE 43 N 1.15 3.39 -1.36 3.97 0.08 -0.53 0.64 117.98 125.31 1xne s PHE 43 Ca -0.08 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.08 1xne s PHE 43 Cb -0.20 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1xne s PHE 43 CO -0.05 -0.24 0.00 0.09 -0.10 0.00 0.00 175.22 174.92 1xne n ASN 44 N 5.28 -5.66 -3.51 1.36 4.13 0.32 -2.78 115.26 114.40 1xne n ASN 44 Ca 0.02 0.32 -0.17 0.00 1.68 0.00 0.00 54.58 56.43 1xne n ASN 44 Cb 0.49 -4.29 0.01 0.00 -1.54 0.00 0.00 39.78 34.45 1xne n ASN 44 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xne n ASP 45 N -1.20 -6.00 0.00 6.41 2.03 -1.23 -4.79 116.55 111.77 1xne n ASP 45 Ca -0.13 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1xne n ASP 45 Cb 0.61 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 37.69 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1xne n LEU 46 N -2.66 0.00 -4.27 -2.67 7.94 -1.12 -5.09 117.00 109.14 1xne n LEU 46 Ca -0.16 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.37 1xne n LEU 46 Cb 0.60 0.08 -0.13 0.00 0.53 0.00 0.00 43.42 44.50 1xne n LEU 46 CO 0.61 -0.08 -0.28 -0.63 -1.11 0.00 0.00 177.39 175.91 1xne s ILE 47 N -1.28 3.68 0.62 1.96 1.01 -1.14 -5.00 121.20 121.05 1xne s ILE 47 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 1xne s ILE 47 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1xne s ILE 47 CO 0.00 -0.13 1.05 -2.16 0.00 0.00 0.00 174.94 173.71 1xne s PRO 48 N 1.39 3.25 0.01 2.79 0.04 -1.26 -1.45 135.00 139.77 1xne s PRO 48 Ca -0.02 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 61.97 1xne s PRO 48 Cb -0.19 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1xne s PRO 48 CO 0.02 -0.86 0.35 0.00 0.04 0.00 0.00 177.00 176.55 1xne s ALA 49 N -2.66 -0.85 0.07 8.56 0.00 0.49 -2.14 121.76 125.22 1xne s ALA 49 Ca 0.61 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1xne s ALA 49 Cb -0.15 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1xne s ALA 49 CO 0.42 -0.35 -0.09 -2.00 0.00 0.00 0.00 175.76 173.74 1xne s GLU 50 N -1.90 2.26 -0.33 0.00 2.12 0.30 0.15 118.70 121.30 1xne s GLU 50 Ca -0.09 -0.93 -0.26 0.00 0.36 0.00 0.00 54.97 54.05 1xne s GLU 50 Cb -0.03 -2.36 0.01 0.00 0.26 0.00 0.00 34.13 32.02 1xne s GLU 50 CO 0.01 0.54 0.94 0.08 -0.54 0.00 0.00 175.26 176.29 1xne s VAL 51 N -1.13 4.61 -0.09 3.70 1.01 -0.65 0.15 120.40 128.00 1xne s VAL 51 Ca 0.20 1.38 -0.24 0.00 0.00 0.00 0.00 61.98 63.32 1xne s VAL 51 Cb -0.11 -4.32 -0.29 0.00 0.00 0.00 0.00 36.38 31.66 1xne s VAL 51 CO 0.11 -0.44 0.81 0.58 0.00 0.00 0.00 175.10 176.17 1xne h VAL 52 N 5.73 1.57 -1.49 2.92 2.07 0.52 -2.63 116.25 124.95 1xne h VAL 52 Ca -0.22 -2.46 0.09 0.00 0.82 0.00 0.00 66.70 64.93 1xne h VAL 52 Cb 1.08 3.22 -0.27 0.00 -1.52 0.00 0.00 31.29 33.80 1xne h VAL 52 CO 0.97 0.67 0.55 -0.70 0.02 0.00 0.00 177.57 179.09 1xne s GLU 53 N -2.35 0.43 -0.07 1.57 2.56 -0.52 -4.79 118.70 115.53 1xne s GLU 53 Ca -0.16 0.44 0.02 0.00 0.00 0.00 0.00 54.97 55.27 1xne s GLU 53 Cb -0.00 0.21 0.01 0.00 2.00 0.00 0.00 34.13 36.35 1xne s GLU 53 CO 0.77 -0.06 -0.13 0.08 -0.56 0.00 0.00 175.26 175.36 1xne s VAL 54 N 0.01 1.21 0.01 3.70 1.01 -1.26 -0.08 120.40 125.00 1xne s VAL 54 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1xne s VAL 54 Cb -0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1xne s VAL 54 CO -0.07 0.38 -0.01 -0.54 0.00 0.00 0.00 175.10 174.85 1xne s LYS 55 N 0.74 0.15 0.12 2.72 1.02 -0.96 -4.91 119.74 118.62 1xne s LYS 55 Ca -0.13 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 55.59 1xne s LYS 55 Cb -0.16 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 1xne s LYS 55 CO 0.03 -0.02 0.16 0.21 -0.92 0.00 0.00 175.35 174.80 1xne s LYS 56 N -0.72 3.07 0.33 1.68 2.20 -1.26 -2.04 119.74 123.00 1xne s LYS 56 Ca -0.08 -0.70 -0.10 0.00 -0.36 0.00 0.00 55.97 54.73 1xne s LYS 56 Cb -0.05 -2.79 0.02 0.00 -1.51 0.00 0.00 37.83 33.50 1xne s LYS 56 CO -0.00 0.53 0.59 0.71 -0.36 0.00 0.00 175.35 176.81 1xne s TYR 57 N -1.60 0.54 0.10 4.03 2.02 -1.25 -4.97 117.35 116.22 1xne s TYR 57 Ca 0.32 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 56.15 1xne s TYR 57 Cb -0.11 0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.72 1xne s TYR 57 CO 0.25 -1.24 -0.14 -1.83 -1.57 0.00 0.00 175.55 171.01 1xne s GLU 58 N -3.11 1.98 0.39 -0.62 -1.05 -1.26 -4.55 118.70 110.46 1xne s GLU 58 Ca 0.23 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 1xne s GLU 58 Cb -0.02 -2.21 0.00 0.00 -0.44 0.00 0.00 34.13 31.46 1xne s GLU 58 CO 0.14 0.50 0.00 2.41 0.95 0.00 0.00 175.26 179.26 1xne n THR 59 N 0.86 -5.03 -0.02 1.83 -1.04 -1.26 -4.23 114.28 105.38 1xne n THR 59 Ca -0.15 2.25 -0.05 0.00 -2.04 0.00 0.00 64.05 64.06 1xne n THR 59 Cb 0.52 -3.08 0.16 0.00 -1.82 0.00 0.00 70.33 66.11 1xne n THR 59 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 1xne h PHE 60 N 2.19 0.67 -0.97 -1.42 -5.15 -1.94 -2.83 116.94 107.49 1xne h PHE 60 Ca 0.00 -0.15 -0.00 0.00 -0.20 0.00 0.00 57.97 57.62 1xne h PHE 60 Cb 0.00 -0.16 -0.05 0.00 0.22 0.00 0.00 35.95 35.96 1xne h PHE 60 CO 0.00 0.79 0.60 0.07 -2.00 0.00 0.00 178.31 177.77 1xne h ARG 61 N 0.52 1.30 -0.11 6.09 -0.00 -1.97 -1.38 114.38 118.84 1xne h ARG 61 Ca 0.07 -0.11 0.03 0.00 -0.00 0.00 0.00 59.98 59.97 1xne h ARG 61 Cb 0.70 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.97 30.37 1xne h ARG 61 CO 0.05 0.90 -0.05 0.37 -0.00 0.00 0.00 179.97 181.24 1xne h GLN 62 N 1.33 -0.04 -0.19 0.08 -0.00 -1.67 0.42 115.11 115.04 1xne h GLN 62 Ca 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.00 1xne h GLN 62 Cb -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.39 1xne h GLN 62 CO -0.07 -0.03 0.10 0.28 0.00 0.00 0.00 178.83 179.11 1xne h VAL 63 N -0.04 1.07 0.00 2.39 2.07 -1.39 0.41 116.25 120.75 1xne h VAL 63 Ca 0.06 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1xne h VAL 63 Cb 0.13 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1xne h VAL 63 CO -0.14 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.71 1xne n LEU 64 N -4.48 0.78 0.02 2.57 4.32 -0.32 -0.20 117.00 119.69 1xne n LEU 64 Ca -0.00 0.58 -0.21 0.00 -0.02 0.00 0.00 56.01 56.36 1xne n LEU 64 Cb 0.10 -0.34 -0.14 0.00 -1.62 0.00 0.00 43.42 41.42 1xne n LEU 64 CO 0.35 -0.20 -0.74 0.03 -1.22 0.00 0.00 177.39 175.60 1xne h ARG 65 N 0.00 0.27 0.00 3.23 3.08 0.38 -3.42 114.38 117.92 1xne h ARG 65 Ca 0.00 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1xne h ARG 65 Cb 0.70 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1xne h ARG 65 CO 0.00 1.19 -0.33 1.49 -1.07 0.00 0.00 179.97 181.26 1xne h GLU 66 N 0.07 0.00 -7.23 0.04 4.81 -0.63 -3.48 114.58 108.17 1xne h GLU 66 Ca -0.40 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.33 1xne h GLU 66 Cb 2.05 0.00 0.09 0.00 0.63 0.00 0.00 28.75 31.51 1xne h GLU 66 CO 0.10 0.00 0.37 -1.21 -0.73 0.00 0.00 179.01 177.55 1xne s GLU 67 N -1.88 3.01 0.98 1.92 0.41 0.72 -5.04 118.70 118.82 1xne s GLU 67 Ca -0.09 1.23 -0.15 0.00 -0.41 0.00 0.00 54.97 55.55 1xne s GLU 67 Cb 0.01 -1.99 0.18 0.00 -1.78 0.00 0.00 34.13 30.56 1xne s GLU 67 CO 0.14 -1.06 1.17 -1.25 -0.49 0.00 0.00 175.26 173.77 1xne s PRO 68 N -4.28 0.54 -0.03 0.39 0.04 -1.26 -4.41 135.00 125.99 1xne s PRO 68 Ca 0.64 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1xne s PRO 68 Cb -0.17 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1xne s PRO 68 CO 0.42 -2.56 -0.03 -0.89 0.04 0.00 0.00 177.00 173.99 1xne n ILE 69 N -3.97 0.19 -0.34 0.56 5.41 -1.26 -4.25 119.36 115.71 1xne n ILE 69 Ca 0.10 -0.08 0.13 0.00 1.00 0.00 0.00 62.75 63.90 1xne n ILE 69 Cb 0.59 -0.64 0.34 0.00 -0.71 0.00 0.00 39.64 39.22 1xne n ILE 69 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1xne h ASP 70 N 0.00 0.75 0.14 4.38 2.03 -1.95 1.46 116.42 123.23 1xne h ASP 70 Ca -0.08 0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 56.30 1xne h ASP 70 Cb 1.12 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1xne h ASP 70 CO -0.01 0.30 -0.07 0.11 -1.03 0.00 0.00 179.24 178.54 1xne h LYS 71 N 0.75 -0.18 -0.69 4.15 1.57 -1.83 -3.16 116.57 117.18 1xne h LYS 71 Ca 0.55 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.45 1xne h LYS 71 Cb 0.87 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 1xne h LYS 71 CO -0.33 0.28 0.27 0.82 -0.57 0.00 0.00 179.45 179.92 1xne h ILE 72 N -0.85 0.73 -3.44 1.86 2.04 -1.43 -3.36 117.51 113.06 1xne h ILE 72 Ca -0.02 -0.15 -0.34 0.00 1.00 0.00 0.00 64.86 65.34 1xne h ILE 72 Cb 0.54 0.24 -0.35 0.00 -0.74 0.00 0.00 36.82 36.51 1xne h ILE 72 CO 0.03 0.08 -0.74 -0.36 0.00 0.00 0.00 178.15 177.16 1xne s PHE 73 N -6.06 0.20 -0.09 1.37 0.08 0.49 -4.90 117.98 109.08 1xne s PHE 73 Ca -0.13 0.08 0.25 0.00 0.12 0.00 0.00 56.93 57.25 1xne s PHE 73 Cb 0.19 -0.40 0.72 0.00 -0.57 0.00 0.00 43.02 42.95 1xne s PHE 73 CO 0.76 -0.15 1.74 -1.00 -0.10 0.00 0.00 175.22 176.47 1xne h PRO 74 N 7.62 0.00 -0.01 0.24 0.13 -1.77 -2.91 132.00 135.31 1xne h PRO 74 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1xne h PRO 74 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xne h PRO 74 CO 0.39 0.15 0.02 -0.44 -0.23 0.00 0.00 178.00 177.88 1xne h ASP 75 N 0.00 0.00 -5.47 1.44 3.32 -1.91 -3.46 116.42 110.33 1xne h ASP 75 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1xne h ASP 75 Cb 0.87 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.52 1xne h ASP 75 CO 0.02 0.00 -0.47 0.29 -1.72 0.00 0.00 179.24 177.36 1xne n LYS 76 N -3.38 -1.75 -1.53 3.56 5.02 -1.10 -4.99 118.16 113.98 1xne n LYS 76 Ca -0.03 1.14 -0.29 0.00 -2.02 0.00 0.00 58.31 57.12 1xne n LYS 76 Cb 0.09 -5.66 0.15 0.00 -0.02 0.00 0.00 35.03 29.59 1xne n LYS 76 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xne s PRO 77 N -3.82 0.96 0.14 1.97 0.04 -1.26 -5.07 135.00 127.96 1xne s PRO 77 Ca 0.24 0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.53 1xne s PRO 77 Cb -0.04 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1xne s PRO 77 CO 0.75 -2.31 0.20 -1.12 0.04 0.00 0.00 177.00 174.57 1xne s SER 78 N -4.07 5.96 0.33 6.66 0.01 -1.26 -4.87 113.70 116.46 1xne s SER 78 Ca 0.65 0.05 0.12 0.00 1.31 0.00 0.00 55.95 58.08 1xne s SER 78 Cb -0.14 -1.70 0.97 0.00 0.21 0.00 0.00 66.02 65.36 1xne s SER 78 CO 0.53 0.08 1.71 0.15 0.41 0.00 0.00 173.24 176.12 1xne h PHE 79 N 2.45 0.97 -0.05 2.43 3.04 -1.98 1.41 116.94 125.20 1xne h PHE 79 Ca -0.48 0.04 -0.17 0.00 3.98 0.00 0.00 57.97 61.34 1xne h PHE 79 Cb 1.19 -0.27 0.01 0.00 2.56 0.00 0.00 35.95 39.44 1xne h PHE 79 CO 0.56 -0.02 -0.62 1.49 -2.02 0.00 0.00 178.31 177.70 1xne h GLU 80 N 0.48 0.50 -0.10 1.11 4.81 -2.00 -2.94 114.58 116.44 1xne h GLU 80 Ca 0.68 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1xne h GLU 80 Cb 1.41 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.91 1xne h GLU 80 CO -0.51 1.11 0.05 -0.22 -0.73 0.00 0.00 179.01 178.71 1xne h LYS 81 N 0.06 0.15 -0.95 1.92 3.64 -0.99 -2.21 116.57 118.19 1xne h LYS 81 Ca -0.06 -0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.50 1xne h LYS 81 Cb 1.29 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.97 1xne h LYS 81 CO 0.12 0.21 0.52 0.00 -2.27 0.00 0.00 179.45 178.04 1xne h ALA 82 N 0.92 1.57 -0.45 5.00 0.00 0.17 1.55 119.26 128.02 1xne h ALA 82 Ca 0.03 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1xne h ALA 82 Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1xne h ALA 82 CO -0.00 -0.19 0.26 1.25 0.00 0.00 0.00 179.25 180.57 1xne h LEU 83 N 0.60 0.42 -0.27 0.00 7.12 -1.22 0.56 115.31 122.51 1xne h LEU 83 Ca 0.57 0.01 -0.16 0.00 0.13 0.00 0.00 57.88 58.42 1xne h LEU 83 Cb 0.98 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1xne h LEU 83 CO -0.44 0.30 -0.47 0.50 -0.13 0.00 0.00 178.44 178.20 1xne h LYS 84 N 0.52 0.79 -0.44 1.25 3.64 0.14 -3.16 116.57 119.32 1xne h LYS 84 Ca 0.18 -0.49 0.03 0.00 -1.27 0.00 0.00 60.65 59.10 1xne h LYS 84 Cb 0.02 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1xne h LYS 84 CO -0.09 1.12 0.23 -0.09 -2.27 0.00 0.00 179.45 178.36 1xne h ARG 85 N 0.55 0.45 -2.80 1.90 9.65 0.25 0.12 114.38 124.50 1xne h ARG 85 Ca 0.02 -0.03 -0.70 0.00 -1.10 0.00 0.00 59.98 58.17 1xne h ARG 85 Cb 1.07 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.50 1xne h ARG 85 CO 0.11 0.30 3.11 1.19 2.80 0.00 0.00 179.97 187.48 1xne n PHE 86 N -4.88 2.49 0.00 2.20 3.72 0.19 -3.80 117.46 117.38 1xne n PHE 86 Ca 0.02 -2.95 0.00 0.00 -0.05 0.00 0.00 57.45 54.48 1xne n PHE 86 Cb 0.09 -2.16 0.00 0.00 -0.94 0.00 0.00 39.48 36.47 1xne n PHE 86 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1xne n HIS 87 N 2.64 0.00 -0.04 1.38 -0.00 -1.12 -4.92 115.22 113.16 1xne n HIS 87 Ca 0.71 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.76 1xne n HIS 87 Cb 0.24 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.04 1xne n HIS 87 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 1xne h ASN 88 N 0.00 -1.50 -1.18 0.26 -0.73 -0.87 -3.42 115.58 108.14 1xne h ASN 88 Ca 0.00 0.20 -0.79 0.00 1.87 0.00 0.00 56.30 57.58 1xne h ASN 88 Cb 0.00 0.61 0.04 0.00 0.27 0.00 0.00 38.32 39.24 1xne h ASN 88 CO 0.00 -0.43 0.38 1.15 -0.37 0.00 0.00 177.43 178.17 1xne n MET 89 N -5.43 0.33 -2.90 6.67 0.00 -1.25 -3.37 117.12 111.18 1xne n MET 89 Ca -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 57.70 57.77 1xne n MET 89 Cb 0.36 -1.66 -0.01 0.00 0.00 0.00 0.00 33.22 31.91 1xne n MET 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1xne n TYR 90 N 2.75 -2.29 -2.43 3.17 4.01 -1.26 -4.86 117.16 116.25 1xne n TYR 90 Ca 0.23 1.13 -0.42 0.00 -0.16 0.00 0.00 57.90 58.67 1xne n TYR 90 Cb 0.07 -2.64 -0.03 0.00 -0.31 0.00 0.00 39.34 36.44 1xne n TYR 90 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1xne s PRO 91 N -1.03 4.34 0.33 -0.72 0.04 -1.22 -4.66 135.00 132.09 1xne s PRO 91 Ca -0.05 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1xne s PRO 91 Cb 0.00 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1xne s PRO 91 CO 0.43 -0.48 0.00 1.17 0.04 0.00 0.00 177.00 178.16 1xne n LYS 92 N 5.32 0.00 -2.37 4.56 3.00 -1.26 -5.13 118.16 122.27 1xne n LYS 92 Ca 0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.09 1xne n LYS 92 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.47 1xne n LYS 92 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1xne s TRP 93 N -1.83 3.00 -0.35 5.64 0.51 -1.26 -4.97 118.94 119.68 1xne s TRP 93 Ca 0.00 1.55 0.12 0.00 -2.12 0.00 0.00 56.10 55.66 1xne s TRP 93 Cb 0.00 -3.05 0.41 0.00 -0.81 0.00 0.00 33.47 30.02 1xne s TRP 93 CO 0.00 -0.93 1.52 0.36 -0.51 0.00 0.00 176.95 177.39 1xne n LYS 94 N -1.34 1.34 0.08 4.98 2.85 -1.26 -4.99 118.16 119.82 1xne n LYS 94 Ca 0.09 -1.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.06 1xne n LYS 94 Cb 0.53 0.36 0.00 0.00 -0.65 0.00 0.00 35.03 35.27 1xne n LYS 94 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1xne n GLU 95 N -1.42 0.00 -4.36 -1.58 4.07 -1.26 -5.16 120.64 110.93 1xne n GLU 95 Ca -0.16 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.73 1xne n GLU 95 Cb 0.87 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 32.17 1xne n GLU 95 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1xne s TYR 96 N -1.47 1.70 0.06 4.31 2.02 -1.26 -5.18 117.35 117.53 1xne s TYR 96 Ca 0.00 -1.47 0.01 0.00 -0.37 0.00 0.00 57.07 55.24 1xne s TYR 96 Cb 0.00 -0.87 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 1xne s TYR 96 CO 0.00 -0.61 -0.06 1.03 -1.57 0.00 0.00 175.55 174.34 1xne s ARG 97 N -3.64 0.62 0.09 -0.62 1.81 -1.26 -4.98 118.95 110.96 1xne s ARG 97 Ca 0.34 -1.02 -0.16 0.00 -1.72 0.00 0.00 55.73 53.17 1xne s ARG 97 Cb 0.03 -0.10 0.03 0.00 -0.45 0.00 0.00 34.95 34.46 1xne s ARG 97 CO 0.21 -0.02 0.39 1.52 -0.68 0.00 0.00 175.30 176.72 1xne s TYR 98 N -2.66 -0.20 0.00 -0.53 1.13 -1.26 -5.01 117.35 108.83 1xne s TYR 98 Ca -0.00 0.00 0.00 0.00 -1.41 0.00 0.00 57.07 55.66 1xne s TYR 98 Cb -0.01 0.21 0.00 0.00 -1.10 0.00 0.00 41.96 41.06 1xne s TYR 98 CO -0.04 -0.63 0.00 0.41 -2.51 0.00 0.00 175.55 172.79 1xne n GLY 99 N 0.13 0.61 3.18 5.49 0.00 -1.26 -4.82 105.19 108.52 1xne n GLY 99 Ca -0.17 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 1xne n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xne s VAL 100 N 0.00 3.17 -0.29 1.61 1.01 -1.26 -4.12 120.40 120.52 1xne s VAL 100 Ca 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 61.98 60.44 1xne s VAL 100 Cb 0.00 -2.88 0.13 0.00 0.00 0.00 0.00 36.38 33.63 1xne s VAL 100 CO 0.00 -0.22 0.62 -0.22 0.00 0.00 0.00 175.10 175.28 1xne s LEU 101 N 1.26 -1.11 -0.46 3.92 1.98 -1.26 -3.78 118.68 119.24 1xne s LEU 101 Ca -0.02 1.44 -0.14 0.00 -2.89 0.00 0.00 54.13 52.52 1xne s LEU 101 Cb -0.20 2.18 0.07 0.00 0.66 0.00 0.00 46.19 48.90 1xne s LEU 101 CO -0.01 -0.23 0.35 0.00 -1.89 0.00 0.00 176.35 174.58 1xne s ALA 102 N 2.86 3.48 -0.23 5.97 0.00 -0.87 -3.38 121.76 129.59 1xne s ALA 102 Ca -0.03 -2.13 -0.08 0.00 0.00 0.00 0.00 51.96 49.72 1xne s ALA 102 Cb -0.12 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1xne s ALA 102 CO -0.18 -1.71 0.10 0.42 0.00 0.00 0.00 175.76 174.39 1xne s ILE 103 N 1.58 4.77 -0.28 0.00 1.01 -1.05 -2.26 121.20 124.96 1xne s ILE 103 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 1xne s ILE 103 Cb -0.24 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.03 1xne s ILE 103 CO 0.05 0.37 0.05 -0.54 0.00 0.00 0.00 174.94 174.87 1xne s LYS 104 N 1.12 3.09 0.14 2.79 1.02 0.88 -0.04 119.74 128.75 1xne s LYS 104 Ca 0.05 -0.85 0.07 0.00 0.02 0.00 0.00 55.97 55.26 1xne s LYS 104 Cb -0.14 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1xne s LYS 104 CO 0.04 -0.41 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.32 1xne s PHE 105 N 1.48 1.53 -0.16 3.18 -0.12 -0.55 0.11 117.98 123.45 1xne s PHE 105 Ca 0.02 -0.54 0.00 0.00 -0.05 0.00 0.00 56.93 56.37 1xne s PHE 105 Cb -0.17 -0.78 0.03 0.00 -0.63 0.00 0.00 43.02 41.47 1xne s PHE 105 CO 0.01 0.21 -0.13 -0.98 -0.05 0.00 0.00 175.22 174.28 1xne s ARG 106 N -2.81 2.19 0.30 1.99 1.70 0.38 -4.64 118.95 118.07 1xne s ARG 106 Ca 0.12 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.46 1xne s ARG 106 Cb -0.05 -2.17 -0.12 0.00 -0.57 0.00 0.00 34.95 32.04 1xne s ARG 106 CO 0.04 -0.29 1.50 1.55 -1.08 0.00 0.00 175.30 177.02 1xne n VAL 107 N 4.76 1.25 -3.29 4.99 3.14 -1.26 -0.54 118.33 127.37 1xne n VAL 107 Ca -0.16 -0.31 -0.45 0.00 -2.96 0.00 0.00 64.34 60.46 1xne n VAL 107 Cb 0.49 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.47 1xne n VAL 107 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1xne n LEU 108 N 1.77 5.59 0.00 6.55 4.77 -0.91 -4.61 117.00 130.16 1xne n LEU 108 Ca 0.08 -5.02 0.00 0.00 -0.03 0.00 0.00 56.01 51.03 1xne n LEU 108 Cb 0.36 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1xne n LEU 108 CO 0.63 1.35 0.00 0.61 -1.33 0.00 0.00 177.39 178.65 1xne n GLY 109 N 2.64 -1.64 3.16 -0.72 0.00 -1.26 -4.74 105.19 102.62 1xne n GLY 109 Ca 0.25 0.48 -0.35 0.00 0.00 0.00 0.00 46.02 46.40 1xne n GLY 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xne n ARG 110 N -0.99 -0.90 -0.82 1.61 0.63 -1.26 -4.86 116.66 110.07 1xne n ARG 110 Ca 0.00 -0.25 -0.35 0.00 -0.92 0.00 0.00 57.85 56.33 1xne n ARG 110 Cb 0.00 -1.39 0.11 0.00 0.45 0.00 0.00 32.46 31.62 1xne n ARG 110 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1xne n ASP 111 N 0.59 -2.67 -1.39 6.15 5.75 -1.26 -4.71 116.55 119.02 1xne n ASP 111 Ca -0.01 -0.08 0.16 0.00 -0.01 0.00 0.00 54.79 54.86 1xne n ASP 111 Cb 0.68 -0.73 -0.09 0.00 -1.03 0.00 0.00 41.12 39.95 1xne n ASP 111 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1xne n LYS 112 N 0.06 -3.08 0.00 0.11 3.00 -1.26 -5.09 118.16 111.89 1xne n LYS 112 Ca -0.01 2.52 0.10 0.00 -0.00 0.00 0.00 58.31 60.92 1xne n LYS 112 Cb 0.68 -3.66 0.61 0.00 0.00 0.00 0.00 35.03 32.66 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49